SCHEMBL5519346

SCHEMBL5519346

COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@H]2C)cc1F

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.71
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5519341 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4130238 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128110 0.90 PTGDR2 (0.70) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128464 0.89 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4121220 0.89 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4116608 0.88 PTGDR2 (0.76) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4124409 0.88 PTGDR2 (0.75) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4115050 0.87 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL13776298 0.86 PTGDR2 (0.66) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4129501 0.86 PTGDR2 (0.73) PTGDR2MEN1KMT2ALMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed